1-ethyl-5-methyl-N-[1-(1-methylimidazol-2-yl)butyl]pyrazole-4-carboxamide

C15H23N5O — CID 50964094

IUPAC1-ethyl-5-methyl-N-[1-(1-methylimidazol-2-yl)butyl]pyrazole-4-carboxamide
SMILESCCCC(NC(=O)c1cnn(CC)c1C)c1nccn1C
InChIInChI=1S/C15H23N5O/c1-5-7-13(14-16-8-9-19(14)4)18-15(21)12-10-17-20(6-2)11(12)3/h8-10,13H,5-7H2,1-4H3,(H,18,21)
InChIKeyXHYYMRGSYPMDDZ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.22
Rot. Bonds6

About 1-ethyl-5-methyl-N-[1-(1-methylimidazol-2-yl)butyl]pyrazole-4-carboxamide

1-ethyl-5-methyl-N-[1-(1-methylimidazol-2-yl)butyl]pyrazole-4-carboxamide (PubChem CID 50964094) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-ethyl-5-methyl-N-[1-(1-methylimidazol-2-yl)butyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-5-methyl-N-[1-(1-methylimidazol-2-yl)butyl]pyrazole-4-carboxamide
PubChem CID50964094
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name1-ethyl-5-methyl-N-[1-(1-methylimidazol-2-yl)butyl]pyrazole-4-carboxamide
SMILESCCCC(NC(=O)c1cnn(CC)c1C)c1nccn1C
InChIInChI=1S/C15H23N5O/c1-5-7-13(14-16-8-9-19(14)4)18-15(21)12-10-17-20(6-2)11(12)3/h8-10,13H,5-7H2,1-4H3,(H,18,21)
InChIKeyXHYYMRGSYPMDDZ-UHFFFAOYSA-N
XLogP2.22
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methyl-N-[1-(1-methylimidazol-2-yl)butyl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-5-methyl-N-[1-(1-methylimidazol-2-yl)butyl]pyrazole-4-carboxamide (CID 50964094) is 1-ethyl-5-methyl-N-[1-(1-methylimidazol-2-yl)butyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-5-methyl-N-[1-(1-methylimidazol-2-yl)butyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-5-methyl-N-[1-(1-methylimidazol-2-yl)butyl]pyrazole-4-carboxamide is CCCC(NC(=O)c1cnn(CC)c1C)c1nccn1C.
What is the InChIKey of 1-ethyl-5-methyl-N-[1-(1-methylimidazol-2-yl)butyl]pyrazole-4-carboxamide?
The InChIKey is XHYYMRGSYPMDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-5-7-13(14-16-8-9-19(14)4)18-15(21)12-10-17-20(6-2)11(12)3/h8-10,13H,5-7H2,1-4H3,(H,18,21).
What are the key properties of 1-ethyl-5-methyl-N-[1-(1-methylimidazol-2-yl)butyl]pyrazole-4-carboxamide?
1-ethyl-5-methyl-N-[1-(1-methylimidazol-2-yl)butyl]pyrazole-4-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methyl-N-[1-(1-methylimidazol-2-yl)butyl]pyrazole-4-carboxamide is sourced from PubChem (CID 50964094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).